SCHEMBL6035487

SCHEMBL6035487

CCOC(=O)CC[C@@H](N)[C@@H](N)CCC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
ALOX15 P16050 1/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6035986 0.98 CYP1A2 (0.52) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL11230225 0.88 CYP1A2 (0.47) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL29226009 0.86 CYP1A2 (0.54) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL12510627 0.86 GABRP (0.54) CYP1A2L3MBTL1KMT2APOLBGAA
Hydrochloric Acid SCHEMBL10659922 0.85 CYP1A2 (0.44) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL27516639 0.84 CYP1A2 (0.52) CYP1A2L3MBTL1KMT2APOLBGAA
Hydrochloric Acid SCHEMBL29076059 0.84 GABRP (0.52) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL27515951 0.84 CYP1A2 (0.52) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL7356567 0.84 CYP1A2 (0.52) CYP1A2L3MBTL1KMT2APOLBGAA
SCHEMBL573710 0.83 L3MBTL1 (0.53) CYP1A2L3MBTL1KMT2APOLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087214-B2 Water-soluble porphyrin platinum compounds with high tumor selectivity and their use for the treatment of benign and malignant tumor diseases ZENTARIS GMBH (DE) 2006-08-08 US disclosed
EP-1470139-A2 NOVEL, WATER−SOLUBLE PORPHYRIN PLATINUM COMPOUNDS WITH HIGH TUMOR SELECTIVITY AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOR DISEASES Zentaris GmbH (DE) 2004-10-27 EP disclosed
US-20040023942-A1 Novel, water-soluble porphyrin platinum compounds with high tumor selectivity and their use for the treatment of benign and malignant tumor diseases ZENTARIS GMBH (DE) 2004-02-05 US disclosed
WO-2003064424-A2 WATER-SOLUBLE PORPHYRIN PLATINUM COMPOUNDS WITH HIGH TUMOR SELECTIVITY AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOR DISEASES ZENTARIS GMBH (DE) 2003-08-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040023942-A1 Novel, water-soluble porphyrin platinum compounds with high tumor selectivity and their use for the treatment of benign and malignant tumor diseases PPOX, VHL, SLC40A1 CYP1A2 3611/4885L3MBTL1 2285/4885KMT2A 3372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.